ChemSpider 2D Image | Ethyl 4-[({1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate | C31H33N3O6S

Ethyl 4-[({1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate

  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID4212827

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[(2-{1-Benzyl-3-[2-(3,4-diméthoxyphényl)éthyl]-5-oxo-2-thioxo-4-imidazolidinyl}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(phenylmethyl)-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[({1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[({1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoat [German] [ACD/IUPAC Name]
1025017-98-4 [RN]
4-(2-{1-Benzyl-3-[2-(3,4-dimethoxy-phenyl)-ethyl]-5-oxo-2-thioxo-imidazolidin-4-yl}-acetylamino)-benzoic acid ethyl ester
benzoic acid, 4-[[[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(phenylmethyl)-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester
C31H33N3O6S
ethyl 4-[({1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
ETHYL 4-[[2-[1-BENZYL-3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETYL]AMINO]BENZOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1952.92
ACD/KOC (pH 5.5): 7889.85
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1952.92
ACD/KOC (pH 7.4): 7889.85
Polar Surface Area: 130 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 434.5±5.0 cm3

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